BENZOIC ACID, p-(3-(2-(DIETHYLAMINO)ETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER

Base Information

• Chemical Name: BENZOIC ACID, p-(3-(2-(DIETHYLAMINO)ETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER
• CAS No.: 20954-13-6
• Molecular Formula: C24H31N3O3
• Molecular Weight: 409.5212
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30175134
• Nikkaji Number: J83.335E
• Wikidata: Q83045388
• Mol file: 20954-13-6.mol

Synonyms:20954-13-6;ITF 634;BENZOIC ACID, p-(3-(2-(DIETHYLAMINO)ETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER;BRN 0852314;p-(3-(2-(Diethylamino)ethoxy)-1H-indazol-1-yl)benzoic acid butyl ester;butyl 4-[3-(2-diethylaminoethyloxy)indazol-1-yl]benzoate;DTXSID30175134;ITF-634;LS-36934

Chemical Property of BENZOIC ACID, p-(3-(2-(DIETHYLAMINO)ETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER

Chemical Property:

• Vapor Pressure: 4.36E-10mmHg at 25°C
• Boiling Point: 498.9°Cat760mmHg
• PKA: 9.34±0.25(Predicted)
• Flash Point: 255.5°C
• PSA: 56.59000
• Density: 1.11g/cm³
• LogP: 4.70300
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 409.23654186
• Heavy Atom Count: 30
• Complexity: 506

Purity/Quality:

97% ^*data from raw suppliers

PARA-[3-[2-(DIETHYLAMINO)ETHOXY]-1H-INDAZOL-1-YL]BENZOIC ACID BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(CC)CC